Propylideneaminoeth-yleneimine

C5H10N2 — CID 129790873

IUPACN-(2-iminoethyl)propan-1-imine
SMILESCCC=NCC=N
InChIInChI=1S/C5H10N2/c1-2-4-7-5-3-6/h3-4,6H,2,5H2,1H3
InChIKeyNHTCFNANIQZSKQ-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.10
Rot. Bonds3

About Propylideneaminoeth-yleneimine

Propylideneaminoeth-yleneimine (PubChem CID 129790873) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-(2-iminoethyl)propan-1-imine.

Molecular Properties

Compound NamePropylideneaminoeth-yleneimine
PubChem CID129790873
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-(2-iminoethyl)propan-1-imine
SMILESCCC=NCC=N
InChIInChI=1S/C5H10N2/c1-2-4-7-5-3-6/h3-4,6H,2,5H2,1H3
InChIKeyNHTCFNANIQZSKQ-UHFFFAOYSA-N
XLogP0.10
TPSA36.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity66

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze Propylideneaminoeth-yleneimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanamine, N-butylidene-
CID 137111
4-Aza-3-heptene
CID 139063
N-Propylideneethanamine
CID 140370
n-Butyraldehyd-n-propylimin
CID 10866301
Butanimine
CID 12299660
(1E)-N-Methylpropan-1-imine
CID 12355454
Butylene imine
CID 18934502
Butanediimine
CID 54553916
Ethylideneaminoeth-yleneimine
CID 57279987
3-N-(2-fluoroethyl)butane-1,3-diimine
CID 123747241
3-Ethylimino-1-fluoropropan-1-amine
CID 126625611
Methanamine, N-butylidene-
CID 535682

Frequently Asked Questions

What is the IUPAC name of Propylideneaminoeth-yleneimine?
The IUPAC name of Propylideneaminoeth-yleneimine (CID 129790873) is N-(2-iminoethyl)propan-1-imine.
What is the SMILES notation for Propylideneaminoeth-yleneimine?
The canonical SMILES for Propylideneaminoeth-yleneimine is CCC=NCC=N.
What is the InChIKey of Propylideneaminoeth-yleneimine?
The InChIKey is NHTCFNANIQZSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-4-7-5-3-6/h3-4,6H,2,5H2,1H3.
What are the key properties of Propylideneaminoeth-yleneimine?
Propylideneaminoeth-yleneimine has a molecular weight of 98.15 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Propylideneaminoeth-yleneimine is sourced from PubChem (CID 129790873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).